USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 MET CE :methyl 176:sc= -6.47! (180deg=-6.67!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.866 K(o=-0.87,f=-1.7!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.153 USER MOD Single : A 18 MET CE :methyl -158:sc= -0.0924 (180deg=-0.751) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 26:sc= 0.343 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 161:sc= 0.0643 USER MOD Single : A 46 MET CE :methyl -108:sc= -5.38 (180deg=-10.2!) USER MOD Single : A 48 MET CE :methyl 145:sc= -0.103 (180deg=-1.14) USER MOD Single : A 51 GLN : amide:sc= -9.94! C(o=-9.9!,f=-15!) USER MOD Single : A 52 ASN : amide:sc= 0.04 K(o=0.04,f=-1.2) USER MOD Single : A 54 THR OG1 : rot 160:sc= -1.01 USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= -0.0131 (180deg=-0.103) USER MOD Single : A 72 THR OG1 : rot -33:sc= 0.45 USER MOD Single : A 81 MET CE :methyl 166:sc= -5.97! (180deg=-7.08!) USER MOD Single : A 82 MET CE :methyl -170:sc= -8.2! (180deg=-8.84!) USER MOD Single : A 85 GLN : amide:sc= -0.894 X(o=-0.89,f=-0.75) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 63.942 -5.654 -11.950 1.00 0.00 N ATOM 25 CA MET A 3 63.949 -5.077 -10.575 1.00 0.00 C ATOM 26 C MET A 3 62.630 -4.350 -10.302 1.00 0.00 C ATOM 27 O MET A 3 62.212 -4.204 -9.171 1.00 0.00 O ATOM 28 CB MET A 3 65.114 -4.089 -10.564 1.00 0.00 C ATOM 29 CG MET A 3 66.166 -4.547 -9.552 1.00 0.00 C ATOM 30 SD MET A 3 66.866 -3.103 -8.716 1.00 0.00 S ATOM 31 CE MET A 3 67.903 -4.003 -7.537 1.00 0.00 C ATOM 0 HA MET A 3 64.057 -5.843 -9.807 1.00 0.00 H new ATOM 0 HB2 MET A 3 65.556 -4.022 -11.558 1.00 0.00 H new ATOM 0 HB3 MET A 3 64.756 -3.092 -10.306 1.00 0.00 H new ATOM 0 HG2 MET A 3 65.716 -5.220 -8.823 1.00 0.00 H new ATOM 0 HG3 MET A 3 66.954 -5.105 -10.058 1.00 0.00 H new ATOM 0 HE1 MET A 3 68.491 -3.294 -6.954 1.00 0.00 H new ATOM 0 HE2 MET A 3 67.271 -4.587 -6.868 1.00 0.00 H new ATOM 0 HE3 MET A 3 68.573 -4.671 -8.078 1.00 0.00 H new ATOM 41 N THR A 4 61.971 -3.895 -11.332 1.00 0.00 N ATOM 42 CA THR A 4 60.677 -3.179 -11.132 1.00 0.00 C ATOM 43 C THR A 4 59.678 -4.089 -10.415 1.00 0.00 C ATOM 44 O THR A 4 58.662 -3.643 -9.919 1.00 0.00 O ATOM 45 CB THR A 4 60.185 -2.848 -12.542 1.00 0.00 C ATOM 46 OG1 THR A 4 59.107 -1.925 -12.460 1.00 0.00 O ATOM 47 CG2 THR A 4 59.714 -4.128 -13.233 1.00 0.00 C ATOM 0 H THR A 4 62.271 -3.987 -12.302 1.00 0.00 H new ATOM 0 HA THR A 4 60.789 -2.284 -10.520 1.00 0.00 H new ATOM 0 HB THR A 4 60.998 -2.407 -13.118 1.00 0.00 H new ATOM 0 HG1 THR A 4 58.791 -1.710 -13.362 1.00 0.00 H new ATOM 0 HG21 THR A 4 59.364 -3.891 -14.238 1.00 0.00 H new ATOM 0 HG22 THR A 4 60.542 -4.834 -13.294 1.00 0.00 H new ATOM 0 HG23 THR A 4 58.900 -4.572 -12.660 1.00 0.00 H new ATOM 55 N ASP A 5 59.958 -5.362 -10.356 1.00 0.00 N ATOM 56 CA ASP A 5 59.024 -6.300 -9.671 1.00 0.00 C ATOM 57 C ASP A 5 59.289 -6.304 -8.163 1.00 0.00 C ATOM 58 O ASP A 5 58.389 -6.134 -7.364 1.00 0.00 O ATOM 59 CB ASP A 5 59.330 -7.671 -10.273 1.00 0.00 C ATOM 60 CG ASP A 5 58.213 -8.651 -9.909 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.262 -8.743 -10.666 1.00 0.00 O ATOM 62 OD2 ASP A 5 58.328 -9.292 -8.876 1.00 0.00 O ATOM 0 H ASP A 5 60.793 -5.793 -10.752 1.00 0.00 H new ATOM 0 HA ASP A 5 57.980 -6.018 -9.808 1.00 0.00 H new ATOM 0 HB2 ASP A 5 59.420 -7.592 -11.356 1.00 0.00 H new ATOM 0 HB3 ASP A 5 60.286 -8.038 -9.900 1.00 0.00 H new ATOM 67 N GLN A 6 60.518 -6.497 -7.767 1.00 0.00 N ATOM 68 CA GLN A 6 60.839 -6.512 -6.310 1.00 0.00 C ATOM 69 C GLN A 6 60.683 -5.108 -5.720 1.00 0.00 C ATOM 70 O GLN A 6 60.754 -4.917 -4.523 1.00 0.00 O ATOM 71 CB GLN A 6 62.297 -6.966 -6.231 1.00 0.00 C ATOM 72 CG GLN A 6 62.583 -7.513 -4.832 1.00 0.00 C ATOM 73 CD GLN A 6 63.207 -8.906 -4.945 1.00 0.00 C ATOM 74 OE1 GLN A 6 64.267 -9.064 -5.520 1.00 0.00 O ATOM 75 NE2 GLN A 6 62.592 -9.929 -4.420 1.00 0.00 N ATOM 0 H GLN A 6 61.313 -6.645 -8.388 1.00 0.00 H new ATOM 0 HA GLN A 6 60.176 -7.169 -5.748 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.492 -7.733 -6.980 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.962 -6.131 -6.450 1.00 0.00 H new ATOM 0 HG2 GLN A 6 63.258 -6.843 -4.299 1.00 0.00 H new ATOM 0 HG3 GLN A 6 61.660 -7.562 -4.254 1.00 0.00 H new ATOM 0 HE21 GLN A 6 61.703 -9.797 -3.938 1.00 0.00 H new ATOM 0 HE22 GLN A 6 63.000 -10.861 -4.492 1.00 0.00 H new ATOM 84 N GLN A 7 60.469 -4.125 -6.551 1.00 0.00 N ATOM 85 CA GLN A 7 60.309 -2.735 -6.037 1.00 0.00 C ATOM 86 C GLN A 7 58.884 -2.524 -5.518 1.00 0.00 C ATOM 87 O GLN A 7 58.615 -1.610 -4.764 1.00 0.00 O ATOM 88 CB GLN A 7 60.580 -1.835 -7.243 1.00 0.00 C ATOM 89 CG GLN A 7 60.568 -0.369 -6.802 1.00 0.00 C ATOM 90 CD GLN A 7 60.065 0.504 -7.953 1.00 0.00 C ATOM 91 OE1 GLN A 7 59.098 1.225 -7.805 1.00 0.00 O ATOM 92 NE2 GLN A 7 60.685 0.471 -9.101 1.00 0.00 N ATOM 0 H GLN A 7 60.398 -4.224 -7.564 1.00 0.00 H new ATOM 0 HA GLN A 7 60.983 -2.520 -5.208 1.00 0.00 H new ATOM 0 HB2 GLN A 7 61.544 -2.084 -7.686 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.824 -2.001 -8.011 1.00 0.00 H new ATOM 0 HG2 GLN A 7 59.926 -0.245 -5.930 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.570 -0.058 -6.507 1.00 0.00 H new ATOM 0 HE21 GLN A 7 61.497 -0.134 -9.225 1.00 0.00 H new ATOM 0 HE22 GLN A 7 60.358 1.050 -9.874 1.00 0.00 H new ATOM 101 N ALA A 8 57.969 -3.366 -5.916 1.00 0.00 N ATOM 102 CA ALA A 8 56.562 -3.218 -5.447 1.00 0.00 C ATOM 103 C ALA A 8 56.375 -3.933 -4.107 1.00 0.00 C ATOM 104 O ALA A 8 56.086 -3.317 -3.100 1.00 0.00 O ATOM 105 CB ALA A 8 55.712 -3.880 -6.532 1.00 0.00 C ATOM 0 H ALA A 8 58.136 -4.151 -6.546 1.00 0.00 H new ATOM 0 HA ALA A 8 56.285 -2.175 -5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.659 -3.813 -6.260 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.875 -3.372 -7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 8 55.996 -4.928 -6.628 1.00 0.00 H new ATOM 111 N GLU A 9 56.539 -5.227 -4.086 1.00 0.00 N ATOM 112 CA GLU A 9 56.373 -5.977 -2.807 1.00 0.00 C ATOM 113 C GLU A 9 57.326 -5.422 -1.747 1.00 0.00 C ATOM 114 O GLU A 9 57.017 -5.396 -0.571 1.00 0.00 O ATOM 115 CB GLU A 9 56.729 -7.424 -3.147 1.00 0.00 C ATOM 116 CG GLU A 9 55.795 -7.938 -4.244 1.00 0.00 C ATOM 117 CD GLU A 9 55.297 -9.337 -3.879 1.00 0.00 C ATOM 118 OE1 GLU A 9 56.073 -10.270 -4.001 1.00 0.00 O ATOM 119 OE2 GLU A 9 54.149 -9.452 -3.483 1.00 0.00 O ATOM 0 H GLU A 9 56.780 -5.797 -4.897 1.00 0.00 H new ATOM 0 HA GLU A 9 55.364 -5.892 -2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 9 57.765 -7.486 -3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 9 56.641 -8.049 -2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 9 54.950 -7.260 -4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 9 56.320 -7.965 -5.199 1.00 0.00 H new ATOM 126 N ALA A 10 58.482 -4.973 -2.154 1.00 0.00 N ATOM 127 CA ALA A 10 59.455 -4.414 -1.173 1.00 0.00 C ATOM 128 C ALA A 10 58.744 -3.450 -0.221 1.00 0.00 C ATOM 129 O ALA A 10 58.505 -3.759 0.930 1.00 0.00 O ATOM 130 CB ALA A 10 60.482 -3.665 -2.020 1.00 0.00 C ATOM 0 H ALA A 10 58.795 -4.969 -3.125 1.00 0.00 H new ATOM 0 HA ALA A 10 59.917 -5.188 -0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.236 -3.222 -1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 10 60.960 -4.360 -2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 10 59.983 -2.878 -2.585 1.00 0.00 H new ATOM 136 N ARG A 11 58.404 -2.284 -0.696 1.00 0.00 N ATOM 137 CA ARG A 11 57.707 -1.296 0.176 1.00 0.00 C ATOM 138 C ARG A 11 56.423 -1.910 0.738 1.00 0.00 C ATOM 139 O ARG A 11 55.919 -1.492 1.762 1.00 0.00 O ATOM 140 CB ARG A 11 57.377 -0.124 -0.749 1.00 0.00 C ATOM 141 CG ARG A 11 56.285 -0.551 -1.732 1.00 0.00 C ATOM 142 CD ARG A 11 56.657 -0.096 -3.143 1.00 0.00 C ATOM 143 NE ARG A 11 56.052 1.257 -3.286 1.00 0.00 N ATOM 144 CZ ARG A 11 56.126 1.888 -4.425 1.00 0.00 C ATOM 145 NH1 ARG A 11 55.966 1.236 -5.543 1.00 0.00 N ATOM 146 NH2 ARG A 11 56.358 3.172 -4.446 1.00 0.00 N ATOM 0 H ARG A 11 58.579 -1.972 -1.651 1.00 0.00 H new ATOM 0 HA ARG A 11 58.315 -0.988 1.027 1.00 0.00 H new ATOM 0 HB2 ARG A 11 57.042 0.733 -0.165 1.00 0.00 H new ATOM 0 HB3 ARG A 11 58.269 0.189 -1.291 1.00 0.00 H new ATOM 0 HG2 ARG A 11 56.164 -1.634 -1.709 1.00 0.00 H new ATOM 0 HG3 ARG A 11 55.329 -0.117 -1.440 1.00 0.00 H new ATOM 0 HD2 ARG A 11 57.739 -0.060 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.268 -0.783 -3.894 1.00 0.00 H new ATOM 0 HE ARG A 11 55.579 1.691 -2.493 1.00 0.00 H new ATOM 0 HH11 ARG A 11 55.783 0.233 -5.527 1.00 0.00 H new ATOM 0 HH12 ARG A 11 56.024 1.729 -6.434 1.00 0.00 H new ATOM 0 HH21 ARG A 11 56.482 3.682 -3.572 1.00 0.00 H new ATOM 0 HH22 ARG A 11 56.416 3.665 -5.337 1.00 0.00 H new ATOM 160 N ALA A 12 55.890 -2.897 0.074 1.00 0.00 N ATOM 161 CA ALA A 12 54.638 -3.538 0.564 1.00 0.00 C ATOM 162 C ALA A 12 54.908 -4.310 1.859 1.00 0.00 C ATOM 163 O ALA A 12 53.999 -4.675 2.577 1.00 0.00 O ATOM 164 CB ALA A 12 54.225 -4.493 -0.557 1.00 0.00 C ATOM 0 H ALA A 12 56.268 -3.288 -0.789 1.00 0.00 H new ATOM 0 HA ALA A 12 53.859 -2.810 0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 12 53.307 -5.009 -0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 12 54.058 -3.927 -1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 12 55.016 -5.225 -0.722 1.00 0.00 H new ATOM 170 N PHE A 13 56.153 -4.558 2.164 1.00 0.00 N ATOM 171 CA PHE A 13 56.479 -5.303 3.414 1.00 0.00 C ATOM 172 C PHE A 13 56.162 -4.436 4.637 1.00 0.00 C ATOM 173 O PHE A 13 55.662 -4.914 5.636 1.00 0.00 O ATOM 174 CB PHE A 13 57.978 -5.587 3.327 1.00 0.00 C ATOM 175 CG PHE A 13 58.480 -6.057 4.671 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.807 -7.078 5.353 1.00 0.00 C ATOM 177 CD2 PHE A 13 59.617 -5.469 5.236 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.274 -7.510 6.600 1.00 0.00 C ATOM 179 CE2 PHE A 13 60.083 -5.901 6.481 1.00 0.00 C ATOM 180 CZ PHE A 13 59.412 -6.922 7.165 1.00 0.00 C ATOM 0 H PHE A 13 56.957 -4.278 1.603 1.00 0.00 H new ATOM 0 HA PHE A 13 55.900 -6.221 3.515 1.00 0.00 H new ATOM 0 HB2 PHE A 13 58.172 -6.346 2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 13 58.512 -4.687 3.022 1.00 0.00 H new ATOM 0 HD1 PHE A 13 56.929 -7.532 4.918 1.00 0.00 H new ATOM 0 HD2 PHE A 13 60.135 -4.681 4.710 1.00 0.00 H new ATOM 0 HE1 PHE A 13 57.756 -8.298 7.127 1.00 0.00 H new ATOM 0 HE2 PHE A 13 60.961 -5.447 6.916 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.772 -7.255 8.127 1.00 0.00 H new ATOM 190 N LEU A 14 56.447 -3.164 4.564 1.00 0.00 N ATOM 191 CA LEU A 14 56.158 -2.267 5.721 1.00 0.00 C ATOM 192 C LEU A 14 54.747 -1.685 5.593 1.00 0.00 C ATOM 193 O LEU A 14 54.176 -1.649 4.521 1.00 0.00 O ATOM 194 CB LEU A 14 57.201 -1.147 5.633 1.00 0.00 C ATOM 195 CG LEU A 14 58.591 -1.687 5.991 1.00 0.00 C ATOM 196 CD1 LEU A 14 58.500 -2.581 7.230 1.00 0.00 C ATOM 197 CD2 LEU A 14 59.140 -2.498 4.815 1.00 0.00 C ATOM 0 H LEU A 14 56.867 -2.707 3.755 1.00 0.00 H new ATOM 0 HA LEU A 14 56.207 -2.796 6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 14 57.213 -0.730 4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 14 56.932 -0.336 6.310 1.00 0.00 H new ATOM 0 HG LEU A 14 59.257 -0.851 6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 14 59.491 -2.961 7.478 1.00 0.00 H new ATOM 0 HD12 LEU A 14 58.113 -2.002 8.069 1.00 0.00 H new ATOM 0 HD13 LEU A 14 57.831 -3.417 7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 14 60.128 -2.883 5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 14 58.470 -3.331 4.603 1.00 0.00 H new ATOM 0 HD23 LEU A 14 59.214 -1.859 3.935 1.00 0.00 H new ATOM 209 N SER A 15 54.181 -1.230 6.676 1.00 0.00 N ATOM 210 CA SER A 15 52.808 -0.650 6.613 1.00 0.00 C ATOM 211 C SER A 15 52.881 0.854 6.339 1.00 0.00 C ATOM 212 O SER A 15 53.895 1.486 6.559 1.00 0.00 O ATOM 213 CB SER A 15 52.201 -0.915 7.989 1.00 0.00 C ATOM 214 OG SER A 15 53.246 -1.136 8.928 1.00 0.00 O ATOM 0 H SER A 15 54.609 -1.234 7.602 1.00 0.00 H new ATOM 0 HA SER A 15 52.211 -1.090 5.814 1.00 0.00 H new ATOM 0 HB2 SER A 15 51.591 -0.067 8.300 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.543 -1.783 7.948 1.00 0.00 H new ATOM 0 HG SER A 15 52.860 -1.305 9.813 1.00 0.00 H new ATOM 220 N GLU A 16 51.813 1.433 5.861 1.00 0.00 N ATOM 221 CA GLU A 16 51.825 2.896 5.575 1.00 0.00 C ATOM 222 C GLU A 16 52.397 3.664 6.770 1.00 0.00 C ATOM 223 O GLU A 16 52.885 4.768 6.635 1.00 0.00 O ATOM 224 CB GLU A 16 50.357 3.267 5.352 1.00 0.00 C ATOM 225 CG GLU A 16 50.258 4.739 4.949 1.00 0.00 C ATOM 226 CD GLU A 16 48.786 5.147 4.868 1.00 0.00 C ATOM 227 OE1 GLU A 16 48.037 4.769 5.754 1.00 0.00 O ATOM 228 OE2 GLU A 16 48.433 5.832 3.922 1.00 0.00 O ATOM 0 H GLU A 16 50.934 0.957 5.657 1.00 0.00 H new ATOM 0 HA GLU A 16 52.444 3.144 4.713 1.00 0.00 H new ATOM 0 HB2 GLU A 16 49.926 2.636 4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 16 49.784 3.089 6.262 1.00 0.00 H new ATOM 0 HG2 GLU A 16 50.780 5.362 5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 16 50.744 4.897 3.986 1.00 0.00 H new ATOM 235 N GLU A 17 52.342 3.086 7.939 1.00 0.00 N ATOM 236 CA GLU A 17 52.884 3.781 9.142 1.00 0.00 C ATOM 237 C GLU A 17 54.412 3.689 9.163 1.00 0.00 C ATOM 238 O GLU A 17 55.095 4.627 9.524 1.00 0.00 O ATOM 239 CB GLU A 17 52.285 3.032 10.333 1.00 0.00 C ATOM 240 CG GLU A 17 53.034 3.419 11.610 1.00 0.00 C ATOM 241 CD GLU A 17 54.255 2.513 11.781 1.00 0.00 C ATOM 242 OE1 GLU A 17 54.066 1.354 12.109 1.00 0.00 O ATOM 243 OE2 GLU A 17 55.358 2.995 11.581 1.00 0.00 O ATOM 0 H GLU A 17 51.945 2.163 8.113 1.00 0.00 H new ATOM 0 HA GLU A 17 52.631 4.841 9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.227 3.273 10.433 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.353 1.956 10.171 1.00 0.00 H new ATOM 0 HG2 GLU A 17 53.346 4.462 11.559 1.00 0.00 H new ATOM 0 HG3 GLU A 17 52.375 3.326 12.473 1.00 0.00 H new ATOM 250 N MET A 18 54.953 2.566 8.779 1.00 0.00 N ATOM 251 CA MET A 18 56.436 2.414 8.777 1.00 0.00 C ATOM 252 C MET A 18 57.042 3.119 7.560 1.00 0.00 C ATOM 253 O MET A 18 58.038 3.806 7.661 1.00 0.00 O ATOM 254 CB MET A 18 56.680 0.907 8.700 1.00 0.00 C ATOM 255 CG MET A 18 58.183 0.635 8.618 1.00 0.00 C ATOM 256 SD MET A 18 58.741 -0.134 10.158 1.00 0.00 S ATOM 257 CE MET A 18 58.898 1.387 11.126 1.00 0.00 C ATOM 0 H MET A 18 54.432 1.746 8.466 1.00 0.00 H new ATOM 0 HA MET A 18 56.896 2.857 9.660 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.258 0.415 9.576 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.177 0.491 7.827 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.400 -0.019 7.773 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.723 1.566 8.447 1.00 0.00 H new ATOM 0 HE1 MET A 18 59.581 1.219 11.959 1.00 0.00 H new ATOM 0 HE2 MET A 18 59.288 2.183 10.492 1.00 0.00 H new ATOM 0 HE3 MET A 18 57.920 1.676 11.511 1.00 0.00 H new ATOM 267 N ILE A 19 56.447 2.955 6.410 1.00 0.00 N ATOM 268 CA ILE A 19 56.993 3.618 5.191 1.00 0.00 C ATOM 269 C ILE A 19 57.306 5.087 5.487 1.00 0.00 C ATOM 270 O ILE A 19 58.295 5.625 5.031 1.00 0.00 O ATOM 271 CB ILE A 19 55.882 3.508 4.148 1.00 0.00 C ATOM 272 CG1 ILE A 19 55.807 2.068 3.635 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.184 4.449 2.980 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.678 1.951 2.609 1.00 0.00 C ATOM 0 H ILE A 19 55.609 2.393 6.262 1.00 0.00 H new ATOM 0 HA ILE A 19 57.919 3.156 4.849 1.00 0.00 H new ATOM 0 HB ILE A 19 54.930 3.784 4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.756 1.782 3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 19 55.631 1.384 4.465 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.392 4.371 2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.240 5.475 3.344 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.136 4.173 2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.624 0.926 2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 19 53.731 2.220 3.078 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.874 2.624 1.774 1.00 0.00 H new ATOM 286 N ALA A 20 56.471 5.738 6.249 1.00 0.00 N ATOM 287 CA ALA A 20 56.720 7.171 6.575 1.00 0.00 C ATOM 288 C ALA A 20 57.911 7.298 7.528 1.00 0.00 C ATOM 289 O ALA A 20 58.524 8.342 7.636 1.00 0.00 O ATOM 290 CB ALA A 20 55.436 7.652 7.252 1.00 0.00 C ATOM 0 H ALA A 20 55.627 5.340 6.660 1.00 0.00 H new ATOM 0 HA ALA A 20 56.959 7.761 5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.540 8.702 7.524 1.00 0.00 H new ATOM 0 HB2 ALA A 20 54.597 7.536 6.566 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.255 7.061 8.150 1.00 0.00 H new ATOM 296 N GLU A 21 58.246 6.243 8.221 1.00 0.00 N ATOM 297 CA GLU A 21 59.398 6.307 9.165 1.00 0.00 C ATOM 298 C GLU A 21 60.718 6.279 8.389 1.00 0.00 C ATOM 299 O GLU A 21 61.607 7.071 8.630 1.00 0.00 O ATOM 300 CB GLU A 21 59.263 5.060 10.041 1.00 0.00 C ATOM 301 CG GLU A 21 60.532 4.886 10.878 1.00 0.00 C ATOM 302 CD GLU A 21 60.593 5.978 11.948 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.902 6.971 11.793 1.00 0.00 O ATOM 304 OE2 GLU A 21 61.330 5.802 12.904 1.00 0.00 O ATOM 0 H GLU A 21 57.772 5.341 8.174 1.00 0.00 H new ATOM 0 HA GLU A 21 59.397 7.222 9.757 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.394 5.153 10.693 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.102 4.180 9.418 1.00 0.00 H new ATOM 0 HG2 GLU A 21 60.539 3.902 11.347 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.413 4.940 10.238 1.00 0.00 H new ATOM 311 N PHE A 22 60.852 5.375 7.458 1.00 0.00 N ATOM 312 CA PHE A 22 62.113 5.301 6.668 1.00 0.00 C ATOM 313 C PHE A 22 62.334 6.610 5.906 1.00 0.00 C ATOM 314 O PHE A 22 63.452 7.027 5.678 1.00 0.00 O ATOM 315 CB PHE A 22 61.905 4.138 5.693 1.00 0.00 C ATOM 316 CG PHE A 22 61.783 2.834 6.455 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.013 2.794 7.838 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.439 1.660 5.772 1.00 0.00 C ATOM 319 CE1 PHE A 22 61.899 1.584 8.534 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.324 0.452 6.469 1.00 0.00 C ATOM 321 CZ PHE A 22 61.554 0.413 7.850 1.00 0.00 C ATOM 0 H PHE A 22 60.143 4.685 7.210 1.00 0.00 H new ATOM 0 HA PHE A 22 62.988 5.149 7.299 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.006 4.307 5.100 1.00 0.00 H new ATOM 0 HB3 PHE A 22 62.741 4.084 4.996 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.278 3.697 8.367 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.262 1.687 4.707 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.077 1.555 9.599 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.057 -0.452 5.941 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.465 -0.520 8.387 1.00 0.00 H new ATOM 331 N LYS A 23 61.276 7.263 5.512 1.00 0.00 N ATOM 332 CA LYS A 23 61.426 8.546 4.767 1.00 0.00 C ATOM 333 C LYS A 23 62.502 9.416 5.422 1.00 0.00 C ATOM 334 O LYS A 23 63.642 9.430 5.003 1.00 0.00 O ATOM 335 CB LYS A 23 60.058 9.222 4.863 1.00 0.00 C ATOM 336 CG LYS A 23 59.092 8.563 3.877 1.00 0.00 C ATOM 337 CD LYS A 23 59.443 8.995 2.452 1.00 0.00 C ATOM 338 CE LYS A 23 59.153 10.488 2.286 1.00 0.00 C ATOM 339 NZ LYS A 23 58.942 10.677 0.823 1.00 0.00 N ATOM 0 H LYS A 23 60.314 6.964 5.673 1.00 0.00 H new ATOM 0 HA LYS A 23 61.732 8.389 3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.670 9.139 5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.150 10.285 4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.151 7.478 3.964 1.00 0.00 H new ATOM 0 HG3 LYS A 23 58.066 8.847 4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 23 60.494 8.793 2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 23 58.862 8.418 1.732 1.00 0.00 H new ATOM 0 HE2 LYS A 23 58.271 10.785 2.854 1.00 0.00 H new ATOM 0 HE3 LYS A 23 59.984 11.094 2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 58.737 11.678 0.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 59.800 10.393 0.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 58.141 10.093 0.509 1.00 0.00 H new ATOM 353 N ALA A 24 62.148 10.141 6.448 1.00 0.00 N ATOM 354 CA ALA A 24 63.152 11.010 7.128 1.00 0.00 C ATOM 355 C ALA A 24 64.477 10.262 7.291 1.00 0.00 C ATOM 356 O ALA A 24 65.543 10.836 7.181 1.00 0.00 O ATOM 357 CB ALA A 24 62.543 11.322 8.494 1.00 0.00 C ATOM 0 H ALA A 24 61.209 10.170 6.845 1.00 0.00 H new ATOM 0 HA ALA A 24 63.367 11.915 6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 24 63.223 11.960 9.059 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.591 11.836 8.359 1.00 0.00 H new ATOM 0 HB3 ALA A 24 62.379 10.393 9.040 1.00 0.00 H new ATOM 363 N ALA A 25 64.422 8.984 7.551 1.00 0.00 N ATOM 364 CA ALA A 25 65.679 8.202 7.719 1.00 0.00 C ATOM 365 C ALA A 25 66.484 8.211 6.416 1.00 0.00 C ATOM 366 O ALA A 25 67.645 8.571 6.394 1.00 0.00 O ATOM 367 CB ALA A 25 65.223 6.783 8.057 1.00 0.00 C ATOM 0 H ALA A 25 63.560 8.448 7.654 1.00 0.00 H new ATOM 0 HA ALA A 25 66.323 8.617 8.494 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.095 6.144 8.196 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.635 6.799 8.974 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.614 6.393 7.242 1.00 0.00 H new ATOM 373 N PHE A 26 65.876 7.818 5.331 1.00 0.00 N ATOM 374 CA PHE A 26 66.606 7.806 4.031 1.00 0.00 C ATOM 375 C PHE A 26 66.888 9.238 3.566 1.00 0.00 C ATOM 376 O PHE A 26 67.958 9.542 3.077 1.00 0.00 O ATOM 377 CB PHE A 26 65.664 7.100 3.055 1.00 0.00 C ATOM 378 CG PHE A 26 66.136 7.336 1.641 1.00 0.00 C ATOM 379 CD1 PHE A 26 65.731 8.486 0.952 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.978 6.407 1.019 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.170 8.706 -0.360 1.00 0.00 C ATOM 382 CE2 PHE A 26 67.416 6.627 -0.293 1.00 0.00 C ATOM 383 CZ PHE A 26 67.012 7.776 -0.981 1.00 0.00 C ATOM 0 H PHE A 26 64.906 7.505 5.288 1.00 0.00 H new ATOM 0 HA PHE A 26 67.570 7.303 4.104 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.637 6.031 3.267 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.648 7.475 3.178 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.081 9.203 1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 26 67.290 5.520 1.551 1.00 0.00 H new ATOM 0 HE1 PHE A 26 65.859 9.593 -0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 26 68.065 5.910 -0.773 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.350 7.946 -1.993 1.00 0.00 H new ATOM 393 N ASP A 27 65.936 10.118 3.713 1.00 0.00 N ATOM 394 CA ASP A 27 66.149 11.529 3.278 1.00 0.00 C ATOM 395 C ASP A 27 67.339 12.141 4.021 1.00 0.00 C ATOM 396 O ASP A 27 67.848 13.179 3.648 1.00 0.00 O ATOM 397 CB ASP A 27 64.856 12.256 3.646 1.00 0.00 C ATOM 398 CG ASP A 27 64.438 13.170 2.493 1.00 0.00 C ATOM 399 OD1 ASP A 27 64.428 12.701 1.366 1.00 0.00 O ATOM 400 OD2 ASP A 27 64.136 14.323 2.756 1.00 0.00 O ATOM 0 H ASP A 27 65.020 9.922 4.115 1.00 0.00 H new ATOM 0 HA ASP A 27 66.370 11.603 2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.067 11.534 3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.001 12.842 4.554 1.00 0.00 H new ATOM 405 N MET A 28 67.786 11.507 5.070 1.00 0.00 N ATOM 406 CA MET A 28 68.943 12.056 5.835 1.00 0.00 C ATOM 407 C MET A 28 70.113 12.347 4.892 1.00 0.00 C ATOM 408 O MET A 28 70.943 13.193 5.161 1.00 0.00 O ATOM 409 CB MET A 28 69.317 10.957 6.830 1.00 0.00 C ATOM 410 CG MET A 28 68.339 10.977 8.007 1.00 0.00 C ATOM 411 SD MET A 28 69.264 11.074 9.558 1.00 0.00 S ATOM 412 CE MET A 28 67.965 11.852 10.551 1.00 0.00 C ATOM 0 H MET A 28 67.401 10.634 5.431 1.00 0.00 H new ATOM 0 HA MET A 28 68.699 12.993 6.335 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.292 9.984 6.339 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.336 11.107 7.188 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.665 11.829 7.919 1.00 0.00 H new ATOM 0 HG3 MET A 28 67.721 10.079 7.995 1.00 0.00 H new ATOM 0 HE1 MET A 28 68.328 12.008 11.567 1.00 0.00 H new ATOM 0 HE2 MET A 28 67.696 12.812 10.111 1.00 0.00 H new ATOM 0 HE3 MET A 28 67.088 11.205 10.574 1.00 0.00 H new ATOM 422 N PHE A 29 70.189 11.651 3.791 1.00 0.00 N ATOM 423 CA PHE A 29 71.313 11.889 2.836 1.00 0.00 C ATOM 424 C PHE A 29 70.765 12.324 1.472 1.00 0.00 C ATOM 425 O PHE A 29 71.326 12.009 0.440 1.00 0.00 O ATOM 426 CB PHE A 29 72.040 10.545 2.715 1.00 0.00 C ATOM 427 CG PHE A 29 72.085 9.859 4.060 1.00 0.00 C ATOM 428 CD1 PHE A 29 71.043 9.008 4.444 1.00 0.00 C ATOM 429 CD2 PHE A 29 73.166 10.076 4.923 1.00 0.00 C ATOM 430 CE1 PHE A 29 71.080 8.373 5.690 1.00 0.00 C ATOM 431 CE2 PHE A 29 73.204 9.441 6.170 1.00 0.00 C ATOM 432 CZ PHE A 29 72.161 8.589 6.554 1.00 0.00 C ATOM 0 H PHE A 29 69.525 10.930 3.510 1.00 0.00 H new ATOM 0 HA PHE A 29 71.980 12.679 3.182 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.530 9.910 1.991 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.053 10.702 2.344 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.209 8.841 3.778 1.00 0.00 H new ATOM 0 HD2 PHE A 29 73.970 10.733 4.627 1.00 0.00 H new ATOM 0 HE1 PHE A 29 70.275 7.716 5.986 1.00 0.00 H new ATOM 0 HE2 PHE A 29 74.038 9.608 6.836 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.190 8.099 7.516 1.00 0.00 H new ATOM 442 N ASP A 30 69.676 13.043 1.458 1.00 0.00 N ATOM 443 CA ASP A 30 69.099 13.495 0.160 1.00 0.00 C ATOM 444 C ASP A 30 69.446 14.966 -0.092 1.00 0.00 C ATOM 445 O ASP A 30 68.923 15.592 -0.993 1.00 0.00 O ATOM 446 CB ASP A 30 67.588 13.316 0.314 1.00 0.00 C ATOM 447 CG ASP A 30 67.032 14.414 1.225 1.00 0.00 C ATOM 448 OD1 ASP A 30 67.777 14.893 2.063 1.00 0.00 O ATOM 449 OD2 ASP A 30 65.873 14.757 1.067 1.00 0.00 O ATOM 0 H ASP A 30 69.161 13.337 2.288 1.00 0.00 H new ATOM 0 HA ASP A 30 69.491 12.930 -0.685 1.00 0.00 H new ATOM 0 HB2 ASP A 30 67.105 13.360 -0.662 1.00 0.00 H new ATOM 0 HB3 ASP A 30 67.369 12.335 0.734 1.00 0.00 H new ATOM 490 N GLY A 35 65.755 12.428 -4.049 1.00 0.00 N ATOM 491 CA GLY A 35 65.001 11.150 -4.183 1.00 0.00 C ATOM 492 C GLY A 35 65.980 9.983 -4.325 1.00 0.00 C ATOM 493 O GLY A 35 65.589 8.863 -4.588 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.365 10.999 -3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.345 11.194 -5.052 1.00 0.00 H new ATOM 497 N ASP A 36 67.251 10.232 -4.154 1.00 0.00 N ATOM 498 CA ASP A 36 68.246 9.129 -4.280 1.00 0.00 C ATOM 499 C ASP A 36 69.610 9.577 -3.749 1.00 0.00 C ATOM 500 O ASP A 36 70.182 10.542 -4.215 1.00 0.00 O ATOM 501 CB ASP A 36 68.327 8.835 -5.777 1.00 0.00 C ATOM 502 CG ASP A 36 68.609 10.130 -6.540 1.00 0.00 C ATOM 503 OD1 ASP A 36 67.837 11.063 -6.390 1.00 0.00 O ATOM 504 OD2 ASP A 36 69.591 10.168 -7.261 1.00 0.00 O ATOM 0 H ASP A 36 67.642 11.148 -3.933 1.00 0.00 H new ATOM 0 HA ASP A 36 67.956 8.249 -3.706 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.114 8.107 -5.973 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.392 8.394 -6.122 1.00 0.00 H new ATOM 509 N ILE A 37 70.136 8.881 -2.778 1.00 0.00 N ATOM 510 CA ILE A 37 71.464 9.266 -2.218 1.00 0.00 C ATOM 511 C ILE A 37 72.571 8.423 -2.857 1.00 0.00 C ATOM 512 O ILE A 37 72.314 7.406 -3.473 1.00 0.00 O ATOM 513 CB ILE A 37 71.359 8.977 -0.719 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.428 7.466 -0.481 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.028 9.513 -0.188 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.486 7.187 1.022 1.00 0.00 C ATOM 0 H ILE A 37 69.704 8.063 -2.348 1.00 0.00 H new ATOM 0 HA ILE A 37 71.711 10.310 -2.414 1.00 0.00 H new ATOM 0 HB ILE A 37 72.183 9.465 -0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.557 6.978 -0.919 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.307 7.050 -0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 37 69.953 9.307 0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 37 69.977 10.589 -0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.205 9.025 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.535 6.111 1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.371 7.662 1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.593 7.589 1.501 1.00 0.00 H new ATOM 528 N SER A 38 73.802 8.835 -2.719 1.00 0.00 N ATOM 529 CA SER A 38 74.922 8.057 -3.321 1.00 0.00 C ATOM 530 C SER A 38 74.888 6.608 -2.826 1.00 0.00 C ATOM 531 O SER A 38 74.845 6.349 -1.640 1.00 0.00 O ATOM 532 CB SER A 38 76.194 8.755 -2.842 1.00 0.00 C ATOM 533 OG SER A 38 76.168 8.862 -1.425 1.00 0.00 O ATOM 0 H SER A 38 74.080 9.677 -2.215 1.00 0.00 H new ATOM 0 HA SER A 38 74.860 8.023 -4.409 1.00 0.00 H new ATOM 0 HB2 SER A 38 77.072 8.193 -3.159 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.270 9.745 -3.291 1.00 0.00 H new ATOM 0 HG SER A 38 75.603 8.152 -1.054 1.00 0.00 H new ATOM 539 N THR A 39 74.907 5.663 -3.725 1.00 0.00 N ATOM 540 CA THR A 39 74.876 4.233 -3.303 1.00 0.00 C ATOM 541 C THR A 39 75.845 4.008 -2.139 1.00 0.00 C ATOM 542 O THR A 39 75.640 3.148 -1.306 1.00 0.00 O ATOM 543 CB THR A 39 75.325 3.446 -4.535 1.00 0.00 C ATOM 544 OG1 THR A 39 76.448 4.088 -5.123 1.00 0.00 O ATOM 545 CG2 THR A 39 74.182 3.384 -5.548 1.00 0.00 C ATOM 0 H THR A 39 74.943 5.818 -4.733 1.00 0.00 H new ATOM 0 HA THR A 39 73.889 3.923 -2.961 1.00 0.00 H new ATOM 0 HB THR A 39 75.600 2.434 -4.239 1.00 0.00 H new ATOM 0 HG1 THR A 39 76.737 3.583 -5.912 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.503 2.823 -6.425 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.322 2.890 -5.096 1.00 0.00 H new ATOM 0 HG23 THR A 39 73.904 4.395 -5.846 1.00 0.00 H new ATOM 553 N LYS A 40 76.898 4.776 -2.077 1.00 0.00 N ATOM 554 CA LYS A 40 77.879 4.607 -0.967 1.00 0.00 C ATOM 555 C LYS A 40 77.213 4.910 0.377 1.00 0.00 C ATOM 556 O LYS A 40 77.614 4.408 1.407 1.00 0.00 O ATOM 557 CB LYS A 40 78.986 5.621 -1.261 1.00 0.00 C ATOM 558 CG LYS A 40 80.097 5.481 -0.219 1.00 0.00 C ATOM 559 CD LYS A 40 81.096 4.419 -0.679 1.00 0.00 C ATOM 560 CE LYS A 40 82.467 5.064 -0.895 1.00 0.00 C ATOM 561 NZ LYS A 40 82.694 5.000 -2.365 1.00 0.00 N ATOM 0 H LYS A 40 77.122 5.513 -2.746 1.00 0.00 H new ATOM 0 HA LYS A 40 78.265 3.589 -0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.388 5.457 -2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 40 78.581 6.633 -1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.603 6.436 -0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 40 79.673 5.203 0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 40 81.169 3.627 0.066 1.00 0.00 H new ATOM 0 HD3 LYS A 40 80.751 3.956 -1.604 1.00 0.00 H new ATOM 0 HE2 LYS A 40 82.480 6.094 -0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 40 83.245 4.529 -0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 83.616 5.424 -2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 82.683 4.007 -2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 81.941 5.524 -2.856 1.00 0.00 H new ATOM 575 N GLU A 41 76.197 5.729 0.374 1.00 0.00 N ATOM 576 CA GLU A 41 75.503 6.064 1.651 1.00 0.00 C ATOM 577 C GLU A 41 74.341 5.096 1.889 1.00 0.00 C ATOM 578 O GLU A 41 73.788 5.026 2.967 1.00 0.00 O ATOM 579 CB GLU A 41 74.986 7.489 1.460 1.00 0.00 C ATOM 580 CG GLU A 41 74.175 7.909 2.688 1.00 0.00 C ATOM 581 CD GLU A 41 75.125 8.198 3.853 1.00 0.00 C ATOM 582 OE1 GLU A 41 76.034 8.990 3.666 1.00 0.00 O ATOM 583 OE2 GLU A 41 74.925 7.624 4.910 1.00 0.00 O ATOM 0 H GLU A 41 75.817 6.181 -0.458 1.00 0.00 H new ATOM 0 HA GLU A 41 76.164 5.985 2.514 1.00 0.00 H new ATOM 0 HB2 GLU A 41 75.822 8.173 1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.366 7.545 0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.582 8.795 2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 41 73.476 7.119 2.963 1.00 0.00 H new ATOM 590 N LEU A 42 73.966 4.350 0.885 1.00 0.00 N ATOM 591 CA LEU A 42 72.840 3.388 1.051 1.00 0.00 C ATOM 592 C LEU A 42 73.071 2.510 2.283 1.00 0.00 C ATOM 593 O LEU A 42 72.156 2.210 3.024 1.00 0.00 O ATOM 594 CB LEU A 42 72.853 2.542 -0.223 1.00 0.00 C ATOM 595 CG LEU A 42 71.980 1.303 -0.025 1.00 0.00 C ATOM 596 CD1 LEU A 42 70.924 1.241 -1.130 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.854 0.049 -0.085 1.00 0.00 C ATOM 0 H LEU A 42 74.391 4.365 -0.042 1.00 0.00 H new ATOM 0 HA LEU A 42 71.884 3.891 1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 42 72.484 3.128 -1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.874 2.245 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 42 71.487 1.357 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.301 0.358 -0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.301 2.134 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.416 1.187 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 42 72.232 -0.835 0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.347 -0.005 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 42 73.607 0.092 0.702 1.00 0.00 H new ATOM 609 N GLY A 43 74.288 2.098 2.512 1.00 0.00 N ATOM 610 CA GLY A 43 74.574 1.244 3.698 1.00 0.00 C ATOM 611 C GLY A 43 74.084 1.949 4.963 1.00 0.00 C ATOM 612 O GLY A 43 73.267 1.431 5.699 1.00 0.00 O ATOM 0 H GLY A 43 75.096 2.316 1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.079 0.278 3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.644 1.048 3.769 1.00 0.00 H new ATOM 616 N THR A 44 74.574 3.131 5.221 1.00 0.00 N ATOM 617 CA THR A 44 74.136 3.870 6.440 1.00 0.00 C ATOM 618 C THR A 44 72.612 3.800 6.580 1.00 0.00 C ATOM 619 O THR A 44 72.092 3.290 7.552 1.00 0.00 O ATOM 620 CB THR A 44 74.589 5.314 6.210 1.00 0.00 C ATOM 621 OG1 THR A 44 75.991 5.407 6.424 1.00 0.00 O ATOM 622 CG2 THR A 44 73.860 6.241 7.182 1.00 0.00 C ATOM 0 H THR A 44 75.258 3.617 4.641 1.00 0.00 H new ATOM 0 HA THR A 44 74.558 3.451 7.353 1.00 0.00 H new ATOM 0 HB THR A 44 74.356 5.610 5.187 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.335 6.216 5.991 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.184 7.269 7.017 1.00 0.00 H new ATOM 0 HG22 THR A 44 72.785 6.168 7.017 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.091 5.948 8.206 1.00 0.00 H new ATOM 630 N VAL A 45 71.894 4.311 5.617 1.00 0.00 N ATOM 631 CA VAL A 45 70.404 4.274 5.698 1.00 0.00 C ATOM 632 C VAL A 45 69.934 2.888 6.150 1.00 0.00 C ATOM 633 O VAL A 45 69.308 2.739 7.180 1.00 0.00 O ATOM 634 CB VAL A 45 69.924 4.567 4.277 1.00 0.00 C ATOM 635 CG1 VAL A 45 68.443 4.202 4.151 1.00 0.00 C ATOM 636 CG2 VAL A 45 70.108 6.055 3.973 1.00 0.00 C ATOM 0 H VAL A 45 72.273 4.752 4.779 1.00 0.00 H new ATOM 0 HA VAL A 45 70.010 4.992 6.417 1.00 0.00 H new ATOM 0 HB VAL A 45 70.505 3.976 3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.102 4.411 3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.310 3.142 4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.861 4.792 4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 45 69.766 6.264 2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 45 69.527 6.646 4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 45 71.162 6.317 4.061 1.00 0.00 H new ATOM 646 N MET A 46 70.229 1.873 5.384 1.00 0.00 N ATOM 647 CA MET A 46 69.798 0.497 5.765 1.00 0.00 C ATOM 648 C MET A 46 70.231 0.183 7.200 1.00 0.00 C ATOM 649 O MET A 46 69.537 -0.491 7.934 1.00 0.00 O ATOM 650 CB MET A 46 70.511 -0.427 4.779 1.00 0.00 C ATOM 651 CG MET A 46 69.847 -0.322 3.406 1.00 0.00 C ATOM 652 SD MET A 46 70.742 -1.357 2.221 1.00 0.00 S ATOM 653 CE MET A 46 69.843 -2.895 2.544 1.00 0.00 C ATOM 0 H MET A 46 70.750 1.937 4.510 1.00 0.00 H new ATOM 0 HA MET A 46 68.715 0.379 5.727 1.00 0.00 H new ATOM 0 HB2 MET A 46 71.564 -0.155 4.707 1.00 0.00 H new ATOM 0 HB3 MET A 46 70.471 -1.456 5.136 1.00 0.00 H new ATOM 0 HG2 MET A 46 68.806 -0.639 3.469 1.00 0.00 H new ATOM 0 HG3 MET A 46 69.844 0.715 3.070 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.488 -3.587 3.086 1.00 0.00 H new ATOM 0 HE2 MET A 46 68.958 -2.680 3.143 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.541 -3.345 1.598 1.00 0.00 H new ATOM 663 N ARG A 47 71.376 0.662 7.602 1.00 0.00 N ATOM 664 CA ARG A 47 71.854 0.385 8.988 1.00 0.00 C ATOM 665 C ARG A 47 71.190 1.342 9.983 1.00 0.00 C ATOM 666 O ARG A 47 70.590 0.923 10.953 1.00 0.00 O ATOM 667 CB ARG A 47 73.364 0.623 8.941 1.00 0.00 C ATOM 668 CG ARG A 47 74.093 -0.629 9.431 1.00 0.00 C ATOM 669 CD ARG A 47 75.287 -0.220 10.298 1.00 0.00 C ATOM 670 NE ARG A 47 75.397 -1.289 11.329 1.00 0.00 N ATOM 671 CZ ARG A 47 76.555 -1.559 11.867 1.00 0.00 C ATOM 672 NH1 ARG A 47 77.389 -0.593 12.138 1.00 0.00 N ATOM 673 NH2 ARG A 47 76.879 -2.795 12.135 1.00 0.00 N ATOM 0 H ARG A 47 72.001 1.232 7.033 1.00 0.00 H new ATOM 0 HA ARG A 47 71.609 -0.626 9.313 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.674 0.862 7.924 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.628 1.478 9.564 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.412 -1.258 10.005 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.433 -1.220 8.581 1.00 0.00 H new ATOM 0 HD2 ARG A 47 76.199 -0.148 9.705 1.00 0.00 H new ATOM 0 HD3 ARG A 47 75.126 0.756 10.756 1.00 0.00 H new ATOM 0 HE ARG A 47 74.568 -1.810 11.615 1.00 0.00 H new ATOM 0 HH11 ARG A 47 77.136 0.373 11.929 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.294 -0.804 12.558 1.00 0.00 H new ATOM 0 HH21 ARG A 47 76.227 -3.550 11.924 1.00 0.00 H new ATOM 0 HH22 ARG A 47 77.784 -3.005 12.555 1.00 0.00 H new ATOM 687 N MET A 48 71.293 2.622 9.753 1.00 0.00 N ATOM 688 CA MET A 48 70.667 3.599 10.692 1.00 0.00 C ATOM 689 C MET A 48 69.178 3.287 10.866 1.00 0.00 C ATOM 690 O MET A 48 68.547 3.733 11.803 1.00 0.00 O ATOM 691 CB MET A 48 70.857 4.964 10.029 1.00 0.00 C ATOM 692 CG MET A 48 72.125 5.623 10.575 1.00 0.00 C ATOM 693 SD MET A 48 71.709 7.239 11.280 1.00 0.00 S ATOM 694 CE MET A 48 70.603 6.640 12.581 1.00 0.00 C ATOM 0 H MET A 48 71.782 3.034 8.958 1.00 0.00 H new ATOM 0 HA MET A 48 71.116 3.563 11.685 1.00 0.00 H new ATOM 0 HB2 MET A 48 70.931 4.848 8.948 1.00 0.00 H new ATOM 0 HB3 MET A 48 69.992 5.598 10.223 1.00 0.00 H new ATOM 0 HG2 MET A 48 72.579 4.988 11.336 1.00 0.00 H new ATOM 0 HG3 MET A 48 72.859 5.740 9.778 1.00 0.00 H new ATOM 0 HE1 MET A 48 70.708 7.268 13.466 1.00 0.00 H new ATOM 0 HE2 MET A 48 69.572 6.679 12.229 1.00 0.00 H new ATOM 0 HE3 MET A 48 70.862 5.612 12.833 1.00 0.00 H new ATOM 704 N LEU A 49 68.612 2.525 9.971 1.00 0.00 N ATOM 705 CA LEU A 49 67.164 2.187 10.090 1.00 0.00 C ATOM 706 C LEU A 49 66.966 1.061 11.110 1.00 0.00 C ATOM 707 O LEU A 49 66.031 1.070 11.884 1.00 0.00 O ATOM 708 CB LEU A 49 66.746 1.729 8.693 1.00 0.00 C ATOM 709 CG LEU A 49 66.391 2.949 7.841 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.560 2.606 6.359 1.00 0.00 C ATOM 711 CD2 LEU A 49 64.937 3.350 8.106 1.00 0.00 C ATOM 0 H LEU A 49 69.088 2.122 9.164 1.00 0.00 H new ATOM 0 HA LEU A 49 66.569 3.033 10.434 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.555 1.168 8.225 1.00 0.00 H new ATOM 0 HB3 LEU A 49 65.890 1.057 8.760 1.00 0.00 H new ATOM 0 HG LEU A 49 67.052 3.776 8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.307 3.476 5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.594 2.319 6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.900 1.778 6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 49 64.683 4.219 7.499 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.278 2.521 7.847 1.00 0.00 H new ATOM 0 HD23 LEU A 49 64.814 3.595 9.161 1.00 0.00 H new ATOM 723 N GLY A 50 67.842 0.092 11.117 1.00 0.00 N ATOM 724 CA GLY A 50 67.700 -1.028 12.090 1.00 0.00 C ATOM 725 C GLY A 50 68.245 -2.319 11.477 1.00 0.00 C ATOM 726 O GLY A 50 68.491 -3.288 12.166 1.00 0.00 O ATOM 0 H GLY A 50 68.647 0.028 10.493 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.239 -0.795 13.008 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.652 -1.157 12.360 1.00 0.00 H new ATOM 730 N GLN A 51 68.435 -2.342 10.186 1.00 0.00 N ATOM 731 CA GLN A 51 68.964 -3.577 9.534 1.00 0.00 C ATOM 732 C GLN A 51 70.491 -3.612 9.632 1.00 0.00 C ATOM 733 O GLN A 51 71.117 -2.665 10.065 1.00 0.00 O ATOM 734 CB GLN A 51 68.523 -3.483 8.073 1.00 0.00 C ATOM 735 CG GLN A 51 67.072 -3.003 7.999 1.00 0.00 C ATOM 736 CD GLN A 51 67.020 -1.644 7.297 1.00 0.00 C ATOM 737 OE1 GLN A 51 67.849 -1.348 6.460 1.00 0.00 O ATOM 738 NE2 GLN A 51 66.072 -0.800 7.603 1.00 0.00 N ATOM 0 H GLN A 51 68.248 -1.563 9.555 1.00 0.00 H new ATOM 0 HA GLN A 51 68.592 -4.484 10.011 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.171 -2.794 7.532 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.619 -4.456 7.591 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.465 -3.728 7.457 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.653 -2.923 9.002 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.376 -1.048 8.306 1.00 0.00 H new ATOM 0 HE22 GLN A 51 66.028 0.107 7.139 1.00 0.00 H new ATOM 747 N ASN A 52 71.095 -4.697 9.232 1.00 0.00 N ATOM 748 CA ASN A 52 72.582 -4.793 9.302 1.00 0.00 C ATOM 749 C ASN A 52 73.142 -5.306 7.973 1.00 0.00 C ATOM 750 O ASN A 52 73.505 -6.461 7.856 1.00 0.00 O ATOM 751 CB ASN A 52 72.863 -5.790 10.426 1.00 0.00 C ATOM 752 CG ASN A 52 73.777 -5.143 11.467 1.00 0.00 C ATOM 753 OD1 ASN A 52 74.961 -5.411 11.503 1.00 0.00 O ATOM 754 ND2 ASN A 52 73.274 -4.294 12.321 1.00 0.00 N ATOM 0 H ASN A 52 70.624 -5.522 8.860 1.00 0.00 H new ATOM 0 HA ASN A 52 73.050 -3.827 9.490 1.00 0.00 H new ATOM 0 HB2 ASN A 52 71.928 -6.102 10.892 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.333 -6.687 10.022 1.00 0.00 H new ATOM 0 HD21 ASN A 52 73.875 -3.856 13.019 1.00 0.00 H new ATOM 0 HD22 ASN A 52 72.280 -4.069 12.291 1.00 0.00 H new ATOM 761 N PRO A 53 73.192 -4.423 7.013 1.00 0.00 N ATOM 762 CA PRO A 53 73.712 -4.783 5.670 1.00 0.00 C ATOM 763 C PRO A 53 75.233 -4.957 5.713 1.00 0.00 C ATOM 764 O PRO A 53 75.980 -4.006 5.598 1.00 0.00 O ATOM 765 CB PRO A 53 73.326 -3.586 4.805 1.00 0.00 C ATOM 766 CG PRO A 53 73.199 -2.442 5.761 1.00 0.00 C ATOM 767 CD PRO A 53 72.772 -3.020 7.086 1.00 0.00 C ATOM 0 HA PRO A 53 73.310 -5.724 5.293 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.084 -3.385 4.048 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.389 -3.766 4.278 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.147 -1.914 5.858 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.467 -1.719 5.402 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.249 -2.503 7.919 1.00 0.00 H new ATOM 0 HD3 PRO A 53 71.695 -2.933 7.231 1.00 0.00 H new ATOM 775 N THR A 54 75.695 -6.166 5.876 1.00 0.00 N ATOM 776 CA THR A 54 77.167 -6.401 5.925 1.00 0.00 C ATOM 777 C THR A 54 77.811 -5.997 4.596 1.00 0.00 C ATOM 778 O THR A 54 77.208 -6.104 3.546 1.00 0.00 O ATOM 779 CB THR A 54 77.318 -7.906 6.159 1.00 0.00 C ATOM 780 OG1 THR A 54 76.776 -8.611 5.052 1.00 0.00 O ATOM 781 CG2 THR A 54 76.574 -8.303 7.435 1.00 0.00 C ATOM 0 H THR A 54 75.118 -7.001 5.977 1.00 0.00 H new ATOM 0 HA THR A 54 77.654 -5.815 6.705 1.00 0.00 H new ATOM 0 HB THR A 54 78.374 -8.154 6.266 1.00 0.00 H new ATOM 0 HG1 THR A 54 77.142 -9.520 5.032 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.682 -9.375 7.601 1.00 0.00 H new ATOM 0 HG22 THR A 54 76.992 -7.761 8.283 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.517 -8.057 7.332 1.00 0.00 H new ATOM 789 N LYS A 55 79.030 -5.533 4.633 1.00 0.00 N ATOM 790 CA LYS A 55 79.710 -5.123 3.370 1.00 0.00 C ATOM 791 C LYS A 55 79.474 -6.171 2.279 1.00 0.00 C ATOM 792 O LYS A 55 79.082 -5.853 1.174 1.00 0.00 O ATOM 793 CB LYS A 55 81.195 -5.044 3.727 1.00 0.00 C ATOM 794 CG LYS A 55 81.882 -4.020 2.821 1.00 0.00 C ATOM 795 CD LYS A 55 82.485 -2.904 3.677 1.00 0.00 C ATOM 796 CE LYS A 55 81.963 -1.550 3.193 1.00 0.00 C ATOM 797 NZ LYS A 55 80.630 -1.398 3.839 1.00 0.00 N ATOM 0 H LYS A 55 79.585 -5.420 5.482 1.00 0.00 H new ATOM 0 HA LYS A 55 79.333 -4.175 2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.314 -4.759 4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.661 -6.022 3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.662 -4.504 2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.164 -3.603 2.115 1.00 0.00 H new ATOM 0 HD2 LYS A 55 82.223 -3.053 4.725 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.573 -2.930 3.613 1.00 0.00 H new ATOM 0 HE2 LYS A 55 82.636 -0.742 3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 55 81.880 -1.524 2.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 80.164 -0.542 3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 80.043 -2.229 3.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 80.751 -1.317 4.869 1.00 0.00 H new ATOM 811 N GLU A 56 79.710 -7.418 2.581 1.00 0.00 N ATOM 812 CA GLU A 56 79.497 -8.484 1.561 1.00 0.00 C ATOM 813 C GLU A 56 78.065 -8.419 1.023 1.00 0.00 C ATOM 814 O GLU A 56 77.833 -8.509 -0.166 1.00 0.00 O ATOM 815 CB GLU A 56 79.734 -9.798 2.305 1.00 0.00 C ATOM 816 CG GLU A 56 81.239 -10.060 2.412 1.00 0.00 C ATOM 817 CD GLU A 56 81.856 -10.063 1.013 1.00 0.00 C ATOM 818 OE1 GLU A 56 81.750 -11.077 0.343 1.00 0.00 O ATOM 819 OE2 GLU A 56 82.425 -9.052 0.634 1.00 0.00 O ATOM 0 H GLU A 56 80.041 -7.745 3.489 1.00 0.00 H new ATOM 0 HA GLU A 56 80.163 -8.377 0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 56 79.291 -9.750 3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 56 79.248 -10.619 1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 56 81.710 -9.293 3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 56 81.419 -11.017 2.902 1.00 0.00 H new ATOM 826 N GLU A 57 77.104 -8.260 1.891 1.00 0.00 N ATOM 827 CA GLU A 57 75.688 -8.184 1.430 1.00 0.00 C ATOM 828 C GLU A 57 75.398 -6.796 0.854 1.00 0.00 C ATOM 829 O GLU A 57 74.595 -6.641 -0.045 1.00 0.00 O ATOM 830 CB GLU A 57 74.850 -8.431 2.685 1.00 0.00 C ATOM 831 CG GLU A 57 74.888 -9.919 3.042 1.00 0.00 C ATOM 832 CD GLU A 57 73.502 -10.530 2.832 1.00 0.00 C ATOM 833 OE1 GLU A 57 72.792 -10.055 1.961 1.00 0.00 O ATOM 834 OE2 GLU A 57 73.174 -11.464 3.545 1.00 0.00 O ATOM 0 H GLU A 57 77.237 -8.179 2.899 1.00 0.00 H new ATOM 0 HA GLU A 57 75.467 -8.907 0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.235 -7.838 3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 57 73.821 -8.113 2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.622 -10.434 2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 57 75.200 -10.047 4.078 1.00 0.00 H new ATOM 841 N LEU A 58 76.047 -5.786 1.364 1.00 0.00 N ATOM 842 CA LEU A 58 75.813 -4.407 0.847 1.00 0.00 C ATOM 843 C LEU A 58 76.520 -4.223 -0.498 1.00 0.00 C ATOM 844 O LEU A 58 75.967 -3.679 -1.432 1.00 0.00 O ATOM 845 CB LEU A 58 76.417 -3.483 1.906 1.00 0.00 C ATOM 846 CG LEU A 58 76.543 -2.067 1.342 1.00 0.00 C ATOM 847 CD1 LEU A 58 75.155 -1.437 1.219 1.00 0.00 C ATOM 848 CD2 LEU A 58 77.403 -1.221 2.285 1.00 0.00 C ATOM 0 H LEU A 58 76.731 -5.856 2.118 1.00 0.00 H new ATOM 0 HA LEU A 58 74.756 -4.198 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 58 75.789 -3.476 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.397 -3.853 2.209 1.00 0.00 H new ATOM 0 HG LEU A 58 77.009 -2.109 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 58 75.248 -0.428 0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 58 74.540 -2.039 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 58 74.686 -1.394 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 58 77.495 -0.211 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 58 76.934 -1.181 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 58 78.393 -1.668 2.373 1.00 0.00 H new ATOM 860 N ASP A 59 77.740 -4.677 -0.604 1.00 0.00 N ATOM 861 CA ASP A 59 78.480 -4.528 -1.891 1.00 0.00 C ATOM 862 C ASP A 59 77.607 -4.996 -3.057 1.00 0.00 C ATOM 863 O ASP A 59 77.460 -4.311 -4.050 1.00 0.00 O ATOM 864 CB ASP A 59 79.708 -5.427 -1.747 1.00 0.00 C ATOM 865 CG ASP A 59 80.844 -4.884 -2.616 1.00 0.00 C ATOM 866 OD1 ASP A 59 80.547 -4.226 -3.601 1.00 0.00 O ATOM 867 OD2 ASP A 59 81.990 -5.132 -2.283 1.00 0.00 O ATOM 0 H ASP A 59 78.255 -5.143 0.143 1.00 0.00 H new ATOM 0 HA ASP A 59 78.754 -3.493 -2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.022 -5.468 -0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 59 79.463 -6.446 -2.046 1.00 0.00 H new ATOM 872 N ALA A 60 77.024 -6.158 -2.944 1.00 0.00 N ATOM 873 CA ALA A 60 76.160 -6.668 -4.046 1.00 0.00 C ATOM 874 C ALA A 60 75.017 -5.686 -4.317 1.00 0.00 C ATOM 875 O ALA A 60 74.546 -5.559 -5.429 1.00 0.00 O ATOM 876 CB ALA A 60 75.613 -8.001 -3.535 1.00 0.00 C ATOM 0 H ALA A 60 77.109 -6.776 -2.137 1.00 0.00 H new ATOM 0 HA ALA A 60 76.707 -6.784 -4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 60 74.965 -8.442 -4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 60 76.441 -8.678 -3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.043 -7.834 -2.621 1.00 0.00 H new ATOM 882 N ILE A 61 74.568 -4.989 -3.308 1.00 0.00 N ATOM 883 CA ILE A 61 73.458 -4.016 -3.512 1.00 0.00 C ATOM 884 C ILE A 61 73.944 -2.830 -4.348 1.00 0.00 C ATOM 885 O ILE A 61 73.457 -2.584 -5.433 1.00 0.00 O ATOM 886 CB ILE A 61 73.068 -3.556 -2.109 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.550 -4.752 -1.306 1.00 0.00 C ATOM 888 CG2 ILE A 61 71.969 -2.497 -2.211 1.00 0.00 C ATOM 889 CD1 ILE A 61 71.267 -5.281 -1.950 1.00 0.00 C ATOM 0 H ILE A 61 74.921 -5.052 -2.353 1.00 0.00 H new ATOM 0 HA ILE A 61 72.615 -4.458 -4.044 1.00 0.00 H new ATOM 0 HB ILE A 61 73.939 -3.132 -1.608 1.00 0.00 H new ATOM 0 HG12 ILE A 61 73.305 -5.538 -1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 61 72.357 -4.455 -0.275 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.688 -2.166 -1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.336 -1.646 -2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.099 -2.923 -2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 61 70.898 -6.133 -1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 61 70.513 -4.494 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 61 71.476 -5.593 -2.973 1.00 0.00 H new ATOM 901 N ILE A 62 74.903 -2.094 -3.854 1.00 0.00 N ATOM 902 CA ILE A 62 75.414 -0.930 -4.631 1.00 0.00 C ATOM 903 C ILE A 62 75.681 -1.355 -6.077 1.00 0.00 C ATOM 904 O ILE A 62 75.162 -0.776 -7.008 1.00 0.00 O ATOM 905 CB ILE A 62 76.714 -0.522 -3.936 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.387 0.285 -2.676 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.555 0.339 -4.883 1.00 0.00 C ATOM 908 CD1 ILE A 62 76.089 -0.670 -1.519 1.00 0.00 C ATOM 0 H ILE A 62 75.352 -2.248 -2.951 1.00 0.00 H new ATOM 0 HA ILE A 62 74.704 -0.104 -4.664 1.00 0.00 H new ATOM 0 HB ILE A 62 77.274 -1.417 -3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 62 77.225 0.933 -2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.528 0.931 -2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.481 0.629 -4.386 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.789 -0.231 -5.782 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.995 1.233 -5.156 1.00 0.00 H new ATOM 0 HD11 ILE A 62 75.856 -0.095 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 62 75.238 -1.300 -1.777 1.00 0.00 H new ATOM 0 HD13 ILE A 62 76.960 -1.297 -1.331 1.00 0.00 H new ATOM 920 N GLU A 63 76.481 -2.368 -6.271 1.00 0.00 N ATOM 921 CA GLU A 63 76.767 -2.830 -7.657 1.00 0.00 C ATOM 922 C GLU A 63 75.452 -3.150 -8.371 1.00 0.00 C ATOM 923 O GLU A 63 75.305 -2.931 -9.557 1.00 0.00 O ATOM 924 CB GLU A 63 77.613 -4.093 -7.490 1.00 0.00 C ATOM 925 CG GLU A 63 78.523 -4.262 -8.708 1.00 0.00 C ATOM 926 CD GLU A 63 79.182 -5.642 -8.666 1.00 0.00 C ATOM 927 OE1 GLU A 63 79.223 -6.224 -7.594 1.00 0.00 O ATOM 928 OE2 GLU A 63 79.634 -6.092 -9.705 1.00 0.00 O ATOM 0 H GLU A 63 76.947 -2.894 -5.532 1.00 0.00 H new ATOM 0 HA GLU A 63 77.284 -2.078 -8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.212 -4.025 -6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 63 76.967 -4.964 -7.381 1.00 0.00 H new ATOM 0 HG2 GLU A 63 77.945 -4.151 -9.625 1.00 0.00 H new ATOM 0 HG3 GLU A 63 79.286 -3.483 -8.716 1.00 0.00 H new ATOM 935 N GLU A 64 74.492 -3.661 -7.649 1.00 0.00 N ATOM 936 CA GLU A 64 73.179 -3.990 -8.271 1.00 0.00 C ATOM 937 C GLU A 64 72.454 -2.697 -8.658 1.00 0.00 C ATOM 938 O GLU A 64 72.022 -2.526 -9.780 1.00 0.00 O ATOM 939 CB GLU A 64 72.416 -4.755 -7.179 1.00 0.00 C ATOM 940 CG GLU A 64 70.904 -4.564 -7.349 1.00 0.00 C ATOM 941 CD GLU A 64 70.178 -5.842 -6.929 1.00 0.00 C ATOM 942 OE1 GLU A 64 70.181 -6.140 -5.745 1.00 0.00 O ATOM 943 OE2 GLU A 64 69.632 -6.503 -7.797 1.00 0.00 O ATOM 0 H GLU A 64 74.561 -3.865 -6.652 1.00 0.00 H new ATOM 0 HA GLU A 64 73.271 -4.580 -9.183 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.663 -5.816 -7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 64 72.725 -4.402 -6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.563 -3.724 -6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.671 -4.325 -8.387 1.00 0.00 H new ATOM 950 N VAL A 65 72.323 -1.784 -7.734 1.00 0.00 N ATOM 951 CA VAL A 65 71.631 -0.501 -8.044 1.00 0.00 C ATOM 952 C VAL A 65 72.575 0.434 -8.805 1.00 0.00 C ATOM 953 O VAL A 65 72.161 1.427 -9.370 1.00 0.00 O ATOM 954 CB VAL A 65 71.271 0.090 -6.680 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.488 -0.944 -5.867 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.554 0.460 -5.930 1.00 0.00 C ATOM 0 H VAL A 65 72.666 -1.872 -6.777 1.00 0.00 H new ATOM 0 HA VAL A 65 70.751 -0.643 -8.671 1.00 0.00 H new ATOM 0 HB VAL A 65 70.660 0.982 -6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.231 -0.524 -4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.575 -1.210 -6.400 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.099 -1.835 -5.727 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.298 0.881 -4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.164 -0.433 -5.790 1.00 0.00 H new ATOM 0 HG23 VAL A 65 73.114 1.195 -6.508 1.00 0.00 H new ATOM 966 N ASP A 66 73.841 0.122 -8.824 1.00 0.00 N ATOM 967 CA ASP A 66 74.816 0.988 -9.547 1.00 0.00 C ATOM 968 C ASP A 66 74.811 0.651 -11.040 1.00 0.00 C ATOM 969 O ASP A 66 75.363 1.366 -11.852 1.00 0.00 O ATOM 970 CB ASP A 66 76.175 0.657 -8.928 1.00 0.00 C ATOM 971 CG ASP A 66 77.282 1.349 -9.726 1.00 0.00 C ATOM 972 OD1 ASP A 66 77.018 2.408 -10.271 1.00 0.00 O ATOM 973 OD2 ASP A 66 78.374 0.808 -9.777 1.00 0.00 O ATOM 0 H ASP A 66 74.244 -0.697 -8.369 1.00 0.00 H new ATOM 0 HA ASP A 66 74.575 2.047 -9.458 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.202 0.984 -7.889 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.333 -0.422 -8.927 1.00 0.00 H new ATOM 1030 N THR A 72 73.737 5.536 -7.702 1.00 0.00 N ATOM 1031 CA THR A 72 72.748 6.173 -6.785 1.00 0.00 C ATOM 1032 C THR A 72 71.602 5.203 -6.483 1.00 0.00 C ATOM 1033 O THR A 72 71.370 4.255 -7.205 1.00 0.00 O ATOM 1034 CB THR A 72 72.231 7.391 -7.551 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.819 6.993 -8.851 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.342 8.435 -7.663 1.00 0.00 C ATOM 0 HA THR A 72 73.189 6.448 -5.827 1.00 0.00 H new ATOM 0 HB THR A 72 71.383 7.822 -7.018 1.00 0.00 H new ATOM 0 HG1 THR A 72 72.387 6.258 -9.163 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.972 9.303 -8.209 1.00 0.00 H new ATOM 0 HG22 THR A 72 73.656 8.741 -6.665 1.00 0.00 H new ATOM 0 HG23 THR A 72 74.192 8.007 -8.195 1.00 0.00 H new ATOM 1044 N ILE A 73 70.884 5.433 -5.416 1.00 0.00 N ATOM 1045 CA ILE A 73 69.754 4.525 -5.066 1.00 0.00 C ATOM 1046 C ILE A 73 68.428 5.291 -5.103 1.00 0.00 C ATOM 1047 O ILE A 73 68.352 6.437 -4.705 1.00 0.00 O ATOM 1048 CB ILE A 73 70.058 4.048 -3.646 1.00 0.00 C ATOM 1049 CG1 ILE A 73 69.109 2.904 -3.278 1.00 0.00 C ATOM 1050 CG2 ILE A 73 69.864 5.204 -2.664 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.711 1.573 -3.733 1.00 0.00 C ATOM 0 H ILE A 73 71.031 6.210 -4.772 1.00 0.00 H new ATOM 0 HA ILE A 73 69.659 3.694 -5.765 1.00 0.00 H new ATOM 0 HB ILE A 73 71.089 3.698 -3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.941 2.890 -2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.139 3.056 -3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.081 4.862 -1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.539 6.020 -2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 73 68.834 5.556 -2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 73 69.035 0.759 -3.471 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.857 1.590 -4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.671 1.420 -3.240 1.00 0.00 H new ATOM 1063 N ASP A 74 67.384 4.668 -5.578 1.00 0.00 N ATOM 1064 CA ASP A 74 66.066 5.361 -5.640 1.00 0.00 C ATOM 1065 C ASP A 74 65.163 4.880 -4.501 1.00 0.00 C ATOM 1066 O ASP A 74 65.075 3.701 -4.222 1.00 0.00 O ATOM 1067 CB ASP A 74 65.475 4.967 -6.994 1.00 0.00 C ATOM 1068 CG ASP A 74 66.044 5.877 -8.086 1.00 0.00 C ATOM 1069 OD1 ASP A 74 65.585 7.002 -8.191 1.00 0.00 O ATOM 1070 OD2 ASP A 74 66.931 5.433 -8.796 1.00 0.00 O ATOM 0 H ASP A 74 67.387 3.709 -5.926 1.00 0.00 H new ATOM 0 HA ASP A 74 66.162 6.442 -5.536 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.709 3.926 -7.215 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.389 5.050 -6.966 1.00 0.00 H new ATOM 1075 N PHE A 75 64.492 5.783 -3.840 1.00 0.00 N ATOM 1076 CA PHE A 75 63.598 5.375 -2.718 1.00 0.00 C ATOM 1077 C PHE A 75 62.710 4.201 -3.146 1.00 0.00 C ATOM 1078 O PHE A 75 62.618 3.201 -2.463 1.00 0.00 O ATOM 1079 CB PHE A 75 62.747 6.609 -2.418 1.00 0.00 C ATOM 1080 CG PHE A 75 62.131 6.472 -1.047 1.00 0.00 C ATOM 1081 CD1 PHE A 75 60.973 5.703 -0.873 1.00 0.00 C ATOM 1082 CD2 PHE A 75 62.718 7.112 0.052 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.404 5.574 0.398 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.147 6.982 1.324 1.00 0.00 C ATOM 1085 CZ PHE A 75 60.990 6.213 1.498 1.00 0.00 C ATOM 0 H PHE A 75 64.524 6.785 -4.028 1.00 0.00 H new ATOM 0 HA PHE A 75 64.160 5.045 -1.844 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.361 7.508 -2.464 1.00 0.00 H new ATOM 0 HB3 PHE A 75 61.966 6.717 -3.171 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.520 5.210 -1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 75 63.610 7.705 -0.082 1.00 0.00 H new ATOM 0 HE1 PHE A 75 59.511 4.981 0.532 1.00 0.00 H new ATOM 0 HE2 PHE A 75 62.599 7.475 2.172 1.00 0.00 H new ATOM 0 HZ PHE A 75 60.550 6.113 2.479 1.00 0.00 H new ATOM 1095 N GLU A 76 62.057 4.318 -4.270 1.00 0.00 N ATOM 1096 CA GLU A 76 61.175 3.209 -4.739 1.00 0.00 C ATOM 1097 C GLU A 76 61.954 1.892 -4.783 1.00 0.00 C ATOM 1098 O GLU A 76 61.470 0.860 -4.363 1.00 0.00 O ATOM 1099 CB GLU A 76 60.734 3.619 -6.144 1.00 0.00 C ATOM 1100 CG GLU A 76 61.964 3.779 -7.039 1.00 0.00 C ATOM 1101 CD GLU A 76 61.535 4.331 -8.400 1.00 0.00 C ATOM 1102 OE1 GLU A 76 60.824 3.632 -9.103 1.00 0.00 O ATOM 1103 OE2 GLU A 76 61.926 5.443 -8.716 1.00 0.00 O ATOM 0 H GLU A 76 62.095 5.132 -4.884 1.00 0.00 H new ATOM 0 HA GLU A 76 60.325 3.051 -4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 76 60.064 2.867 -6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.177 4.555 -6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 76 62.682 4.452 -6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 76 62.463 2.818 -7.165 1.00 0.00 H new ATOM 1110 N GLU A 77 63.157 1.917 -5.288 1.00 0.00 N ATOM 1111 CA GLU A 77 63.962 0.665 -5.355 1.00 0.00 C ATOM 1112 C GLU A 77 64.635 0.399 -4.007 1.00 0.00 C ATOM 1113 O GLU A 77 64.666 -0.716 -3.528 1.00 0.00 O ATOM 1114 CB GLU A 77 65.011 0.921 -6.438 1.00 0.00 C ATOM 1115 CG GLU A 77 65.556 -0.414 -6.947 1.00 0.00 C ATOM 1116 CD GLU A 77 65.064 -0.657 -8.375 1.00 0.00 C ATOM 1117 OE1 GLU A 77 65.557 0.006 -9.271 1.00 0.00 O ATOM 1118 OE2 GLU A 77 64.201 -1.503 -8.547 1.00 0.00 O ATOM 0 H GLU A 77 63.617 2.750 -5.657 1.00 0.00 H new ATOM 0 HA GLU A 77 63.349 -0.207 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.570 1.483 -7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.823 1.528 -6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.646 -0.406 -6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.228 -1.224 -6.296 1.00 0.00 H new ATOM 1125 N PHE A 78 65.173 1.417 -3.391 1.00 0.00 N ATOM 1126 CA PHE A 78 65.839 1.222 -2.073 1.00 0.00 C ATOM 1127 C PHE A 78 64.933 0.409 -1.143 1.00 0.00 C ATOM 1128 O PHE A 78 65.388 -0.446 -0.409 1.00 0.00 O ATOM 1129 CB PHE A 78 66.054 2.638 -1.527 1.00 0.00 C ATOM 1130 CG PHE A 78 66.250 2.584 -0.031 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.234 1.753 0.517 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.442 3.360 0.809 1.00 0.00 C ATOM 1133 CE1 PHE A 78 67.413 1.698 1.904 1.00 0.00 C ATOM 1134 CE2 PHE A 78 65.621 3.307 2.197 1.00 0.00 C ATOM 1135 CZ PHE A 78 66.605 2.475 2.744 1.00 0.00 C ATOM 0 H PHE A 78 65.180 2.374 -3.744 1.00 0.00 H new ATOM 0 HA PHE A 78 66.778 0.674 -2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 78 66.924 3.092 -2.001 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.196 3.265 -1.768 1.00 0.00 H new ATOM 0 HD1 PHE A 78 67.856 1.153 -0.131 1.00 0.00 H new ATOM 0 HD2 PHE A 78 64.681 3.999 0.387 1.00 0.00 H new ATOM 0 HE1 PHE A 78 68.173 1.057 2.326 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.000 3.908 2.845 1.00 0.00 H new ATOM 0 HZ PHE A 78 66.741 2.432 3.815 1.00 0.00 H new ATOM 1145 N LEU A 79 63.655 0.671 -1.167 1.00 0.00 N ATOM 1146 CA LEU A 79 62.722 -0.085 -0.284 1.00 0.00 C ATOM 1147 C LEU A 79 63.080 -1.573 -0.286 1.00 0.00 C ATOM 1148 O LEU A 79 62.936 -2.257 0.709 1.00 0.00 O ATOM 1149 CB LEU A 79 61.336 0.135 -0.890 1.00 0.00 C ATOM 1150 CG LEU A 79 60.911 1.588 -0.677 1.00 0.00 C ATOM 1151 CD1 LEU A 79 60.071 2.056 -1.866 1.00 0.00 C ATOM 1152 CD2 LEU A 79 60.081 1.693 0.605 1.00 0.00 C ATOM 0 H LEU A 79 63.216 1.376 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 79 62.771 0.251 0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.352 -0.098 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.614 -0.538 -0.427 1.00 0.00 H new ATOM 0 HG LEU A 79 61.798 2.216 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.769 3.092 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.661 1.981 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 79 59.184 1.429 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.777 2.729 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.195 1.064 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 79 60.679 1.361 1.454 1.00 0.00 H new ATOM 1164 N VAL A 80 63.547 -2.082 -1.394 1.00 0.00 N ATOM 1165 CA VAL A 80 63.910 -3.526 -1.453 1.00 0.00 C ATOM 1166 C VAL A 80 65.163 -3.789 -0.612 1.00 0.00 C ATOM 1167 O VAL A 80 65.345 -4.861 -0.072 1.00 0.00 O ATOM 1168 CB VAL A 80 64.180 -3.812 -2.932 1.00 0.00 C ATOM 1169 CG1 VAL A 80 63.077 -3.180 -3.783 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.535 -3.223 -3.333 1.00 0.00 C ATOM 0 H VAL A 80 63.692 -1.561 -2.259 1.00 0.00 H new ATOM 0 HA VAL A 80 63.122 -4.167 -1.057 1.00 0.00 H new ATOM 0 HB VAL A 80 64.194 -4.890 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.269 -3.383 -4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.113 -3.603 -3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.063 -2.103 -3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 80 65.724 -3.429 -4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.526 -2.145 -3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.321 -3.675 -2.729 1.00 0.00 H new ATOM 1180 N MET A 81 66.026 -2.818 -0.494 1.00 0.00 N ATOM 1181 CA MET A 81 67.262 -3.015 0.314 1.00 0.00 C ATOM 1182 C MET A 81 66.911 -3.073 1.803 1.00 0.00 C ATOM 1183 O MET A 81 66.956 -4.117 2.423 1.00 0.00 O ATOM 1184 CB MET A 81 68.130 -1.793 0.013 1.00 0.00 C ATOM 1185 CG MET A 81 69.241 -2.182 -0.965 1.00 0.00 C ATOM 1186 SD MET A 81 68.523 -3.045 -2.385 1.00 0.00 S ATOM 1187 CE MET A 81 68.532 -1.643 -3.530 1.00 0.00 C ATOM 0 H MET A 81 65.929 -1.897 -0.922 1.00 0.00 H new ATOM 0 HA MET A 81 67.774 -3.946 0.071 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.520 -0.996 -0.412 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.563 -1.405 0.935 1.00 0.00 H new ATOM 0 HG2 MET A 81 69.774 -1.292 -1.299 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.970 -2.822 -0.468 1.00 0.00 H new ATOM 0 HE1 MET A 81 68.362 -2.001 -4.545 1.00 0.00 H new ATOM 0 HE2 MET A 81 67.742 -0.944 -3.255 1.00 0.00 H new ATOM 0 HE3 MET A 81 69.497 -1.138 -3.480 1.00 0.00 H new ATOM 1197 N MET A 82 66.560 -1.957 2.381 1.00 0.00 N ATOM 1198 CA MET A 82 66.204 -1.945 3.830 1.00 0.00 C ATOM 1199 C MET A 82 65.262 -3.107 4.156 1.00 0.00 C ATOM 1200 O MET A 82 65.241 -3.608 5.263 1.00 0.00 O ATOM 1201 CB MET A 82 65.496 -0.607 4.067 1.00 0.00 C ATOM 1202 CG MET A 82 64.602 -0.267 2.872 1.00 0.00 C ATOM 1203 SD MET A 82 63.323 0.905 3.388 1.00 0.00 S ATOM 1204 CE MET A 82 61.901 -0.187 3.146 1.00 0.00 C ATOM 0 H MET A 82 66.504 -1.052 1.913 1.00 0.00 H new ATOM 0 HA MET A 82 67.084 -2.056 4.463 1.00 0.00 H new ATOM 0 HB2 MET A 82 64.897 -0.660 4.976 1.00 0.00 H new ATOM 0 HB3 MET A 82 66.233 0.182 4.216 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.200 0.162 2.068 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.142 -1.174 2.479 1.00 0.00 H new ATOM 0 HE1 MET A 82 60.980 0.389 3.237 1.00 0.00 H new ATOM 0 HE2 MET A 82 61.952 -0.636 2.154 1.00 0.00 H new ATOM 0 HE3 MET A 82 61.913 -0.973 3.901 1.00 0.00 H new ATOM 1214 N VAL A 83 64.482 -3.539 3.205 1.00 0.00 N ATOM 1215 CA VAL A 83 63.545 -4.666 3.469 1.00 0.00 C ATOM 1216 C VAL A 83 64.269 -6.003 3.308 1.00 0.00 C ATOM 1217 O VAL A 83 64.497 -6.717 4.263 1.00 0.00 O ATOM 1218 CB VAL A 83 62.444 -4.518 2.423 1.00 0.00 C ATOM 1219 CG1 VAL A 83 61.522 -5.739 2.480 1.00 0.00 C ATOM 1220 CG2 VAL A 83 61.637 -3.251 2.714 1.00 0.00 C ATOM 0 H VAL A 83 64.453 -3.161 2.258 1.00 0.00 H new ATOM 0 HA VAL A 83 63.146 -4.644 4.483 1.00 0.00 H new ATOM 0 HB VAL A 83 62.888 -4.446 1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.735 -5.635 1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 83 62.099 -6.641 2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 83 61.075 -5.811 3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 83 60.849 -3.142 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 83 61.190 -3.324 3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 83 62.296 -2.383 2.675 1.00 0.00 H new ATOM 1230 N ARG A 84 64.635 -6.347 2.103 1.00 0.00 N ATOM 1231 CA ARG A 84 65.347 -7.637 1.886 1.00 0.00 C ATOM 1232 C ARG A 84 66.430 -7.818 2.952 1.00 0.00 C ATOM 1233 O ARG A 84 66.797 -8.923 3.298 1.00 0.00 O ATOM 1234 CB ARG A 84 65.971 -7.517 0.497 1.00 0.00 C ATOM 1235 CG ARG A 84 64.864 -7.330 -0.544 1.00 0.00 C ATOM 1236 CD ARG A 84 64.475 -8.691 -1.127 1.00 0.00 C ATOM 1237 NE ARG A 84 65.375 -8.880 -2.296 1.00 0.00 N ATOM 1238 CZ ARG A 84 65.758 -10.078 -2.638 1.00 0.00 C ATOM 1239 NH1 ARG A 84 65.022 -11.111 -2.331 1.00 0.00 N ATOM 1240 NH2 ARG A 84 66.878 -10.246 -3.289 1.00 0.00 N ATOM 0 H ARG A 84 64.472 -5.792 1.263 1.00 0.00 H new ATOM 0 HA ARG A 84 64.682 -8.498 1.956 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.659 -6.672 0.467 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.552 -8.410 0.269 1.00 0.00 H new ATOM 0 HG2 ARG A 84 63.995 -6.857 -0.086 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.206 -6.667 -1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 84 64.608 -9.487 -0.394 1.00 0.00 H new ATOM 0 HD3 ARG A 84 63.428 -8.707 -1.429 1.00 0.00 H new ATOM 0 HE ARG A 84 65.693 -8.071 -2.830 1.00 0.00 H new ATOM 0 HH11 ARG A 84 64.147 -10.981 -1.823 1.00 0.00 H new ATOM 0 HH12 ARG A 84 65.322 -12.048 -2.599 1.00 0.00 H new ATOM 0 HH21 ARG A 84 67.454 -9.439 -3.530 1.00 0.00 H new ATOM 0 HH22 ARG A 84 67.177 -11.184 -3.556 1.00 0.00 H new ATOM 1254 N GLN A 85 66.941 -6.738 3.478 1.00 0.00 N ATOM 1255 CA GLN A 85 67.994 -6.844 4.527 1.00 0.00 C ATOM 1256 C GLN A 85 67.359 -7.216 5.867 1.00 0.00 C ATOM 1257 O GLN A 85 67.824 -8.094 6.565 1.00 0.00 O ATOM 1258 CB GLN A 85 68.622 -5.452 4.600 1.00 0.00 C ATOM 1259 CG GLN A 85 69.915 -5.516 5.415 1.00 0.00 C ATOM 1260 CD GLN A 85 70.789 -6.661 4.900 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.316 -7.434 5.675 1.00 0.00 O ATOM 1262 NE2 GLN A 85 70.967 -6.803 3.615 1.00 0.00 N ATOM 0 H GLN A 85 66.674 -5.786 3.226 1.00 0.00 H new ATOM 0 HA GLN A 85 68.733 -7.611 4.298 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.831 -5.083 3.596 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.925 -4.751 5.059 1.00 0.00 H new ATOM 0 HG2 GLN A 85 70.453 -4.571 5.338 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.685 -5.666 6.470 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.525 -6.154 2.964 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.548 -7.563 3.262 1.00 0.00 H new ATOM 1271 N MET A 86 66.295 -6.553 6.232 1.00 0.00 N ATOM 1272 CA MET A 86 65.629 -6.872 7.526 1.00 0.00 C ATOM 1273 C MET A 86 64.891 -8.206 7.423 1.00 0.00 C ATOM 1274 O MET A 86 64.657 -8.874 8.409 1.00 0.00 O ATOM 1275 CB MET A 86 64.642 -5.730 7.761 1.00 0.00 C ATOM 1276 CG MET A 86 65.035 -4.975 9.029 1.00 0.00 C ATOM 1277 SD MET A 86 63.799 -5.273 10.317 1.00 0.00 S ATOM 1278 CE MET A 86 63.791 -3.604 11.015 1.00 0.00 C ATOM 0 H MET A 86 65.859 -5.806 5.691 1.00 0.00 H new ATOM 0 HA MET A 86 66.343 -6.965 8.344 1.00 0.00 H new ATOM 0 HB2 MET A 86 64.641 -5.053 6.907 1.00 0.00 H new ATOM 0 HB3 MET A 86 63.630 -6.123 7.857 1.00 0.00 H new ATOM 0 HG2 MET A 86 66.017 -5.302 9.370 1.00 0.00 H new ATOM 0 HG3 MET A 86 65.109 -3.908 8.821 1.00 0.00 H new ATOM 0 HE1 MET A 86 63.083 -3.559 11.842 1.00 0.00 H new ATOM 0 HE2 MET A 86 64.789 -3.357 11.378 1.00 0.00 H new ATOM 0 HE3 MET A 86 63.497 -2.889 10.246 1.00 0.00 H new ATOM 1288 N LYS A 87 64.528 -8.606 6.235 1.00 0.00 N ATOM 1289 CA LYS A 87 63.814 -9.903 6.081 1.00 0.00 C ATOM 1290 C LYS A 87 64.572 -10.989 6.846 1.00 0.00 C ATOM 1291 O LYS A 87 64.002 -11.963 7.297 1.00 0.00 O ATOM 1292 CB LYS A 87 63.822 -10.187 4.578 1.00 0.00 C ATOM 1293 CG LYS A 87 62.538 -9.642 3.950 1.00 0.00 C ATOM 1294 CD LYS A 87 61.440 -10.705 4.027 1.00 0.00 C ATOM 1295 CE LYS A 87 60.089 -10.070 3.688 1.00 0.00 C ATOM 1296 NZ LYS A 87 59.943 -10.235 2.216 1.00 0.00 N ATOM 0 H LYS A 87 64.694 -8.093 5.369 1.00 0.00 H new ATOM 0 HA LYS A 87 62.798 -9.878 6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.692 -9.723 4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.900 -11.260 4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 87 62.221 -8.738 4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.718 -9.365 2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 87 61.656 -11.517 3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 87 61.409 -11.139 5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 87 59.277 -10.562 4.223 1.00 0.00 H new ATOM 0 HE3 LYS A 87 60.066 -9.018 3.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 59.039 -9.823 1.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 60.726 -9.750 1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 59.962 -11.247 1.977 1.00 0.00 H new ATOM 1310 N GLU A 88 65.856 -10.816 7.003 1.00 0.00 N ATOM 1311 CA GLU A 88 66.662 -11.820 7.751 1.00 0.00 C ATOM 1312 C GLU A 88 66.878 -11.340 9.189 1.00 0.00 C ATOM 1313 O GLU A 88 66.895 -12.119 10.120 1.00 0.00 O ATOM 1314 CB GLU A 88 67.994 -11.895 7.003 1.00 0.00 C ATOM 1315 CG GLU A 88 68.089 -13.226 6.256 1.00 0.00 C ATOM 1316 CD GLU A 88 68.182 -14.373 7.264 1.00 0.00 C ATOM 1317 OE1 GLU A 88 68.299 -14.090 8.445 1.00 0.00 O ATOM 1318 OE2 GLU A 88 68.137 -15.516 6.838 1.00 0.00 O ATOM 0 H GLU A 88 66.382 -10.020 6.644 1.00 0.00 H new ATOM 0 HA GLU A 88 66.174 -12.793 7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.075 -11.066 6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 88 68.823 -11.800 7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 88 67.216 -13.359 5.617 1.00 0.00 H new ATOM 0 HG3 GLU A 88 68.963 -13.228 5.605 1.00 0.00 H new ATOM 1325 N ASP A 89 67.040 -10.055 9.372 1.00 0.00 N ATOM 1326 CA ASP A 89 67.252 -9.516 10.746 1.00 0.00 C ATOM 1327 C ASP A 89 65.921 -9.455 11.501 1.00 0.00 C ATOM 1328 O ASP A 89 65.878 -9.543 12.711 1.00 0.00 O ATOM 1329 CB ASP A 89 67.815 -8.108 10.536 1.00 0.00 C ATOM 1330 CG ASP A 89 69.279 -8.073 10.979 1.00 0.00 C ATOM 1331 OD1 ASP A 89 70.071 -8.792 10.394 1.00 0.00 O ATOM 1332 OD2 ASP A 89 69.581 -7.326 11.896 1.00 0.00 O ATOM 0 H ASP A 89 67.034 -9.357 8.629 1.00 0.00 H new ATOM 0 HA ASP A 89 67.923 -10.140 11.336 1.00 0.00 H new ATOM 0 HB2 ASP A 89 67.735 -7.825 9.486 1.00 0.00 H new ATOM 0 HB3 ASP A 89 67.234 -7.384 11.106 1.00 0.00 H new ATOM 1337 N ALA A 90 64.834 -9.305 10.793 1.00 0.00 N ATOM 1338 CA ALA A 90 63.507 -9.241 11.470 1.00 0.00 C ATOM 1339 C ALA A 90 63.096 -10.632 11.959 1.00 0.00 C ATOM 1340 O ALA A 90 62.124 -11.157 11.441 1.00 0.00 O ATOM 1341 CB ALA A 90 62.539 -8.741 10.397 1.00 0.00 C ATOM 1342 OXT ALA A 90 63.759 -11.147 12.844 1.00 0.00 O ATOM 0 H ALA A 90 64.808 -9.224 9.777 1.00 0.00 H new ATOM 0 HA ALA A 90 63.519 -8.589 12.343 1.00 0.00 H new ATOM 0 HB1 ALA A 90 61.536 -8.666 10.818 1.00 0.00 H new ATOM 0 HB2 ALA A 90 62.859 -7.760 10.047 1.00 0.00 H new ATOM 0 HB3 ALA A 90 62.530 -9.440 9.561 1.00 0.00 H new